1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one

C23H28ClN3O2 — CID 10787911

IUPAC1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one
SMILESCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C23H28ClN3O2/c1-29-22-9-4-8-20-18(22)10-11-23(28)27(20)13-5-12-25-14-16-26(17-15-25)21-7-3-2-6-19(21)24/h2-4,6-9H,5,10-17H2,1H3
InChIKeyPMGNBVHFJBEVKH-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.84
Rot. Bonds6

About 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one

1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one (PubChem CID 10787911) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one
PubChem CID10787911
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one
SMILESCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C23H28ClN3O2/c1-29-22-9-4-8-20-18(22)10-11-23(28)27(20)13-5-12-25-14-16-26(17-15-25)21-7-3-2-6-19(21)24/h2-4,6-9H,5,10-17H2,1H3
InChIKeyPMGNBVHFJBEVKH-UHFFFAOYSA-N
XLogP3.84
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one (CID 10787911) is 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one is COc1cccc2c1CCC(=O)N2CCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one?
The InChIKey is PMGNBVHFJBEVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-29-22-9-4-8-20-18(22)10-11-23(28)27(20)13-5-12-25-14-16-26(17-15-25)21-7-3-2-6-19(21)24/h2-4,6-9H,5,10-17H2,1H3.
What are the key properties of 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one?
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one has a molecular weight of 413.95 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10787911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).